| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224099 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO5 |
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| Molecular Mass | 273.0637 |
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| SMILES | O=C(Cn1c(C(=O)O)ccc1C(=O)O)c1ccccc1 |
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| InChI Key | CYFBCEFWFIUAGE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylsubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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